2-(2-((4-Ethoxyphenyl)amino)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate
TL;DR: 2-(2-((4-Ethoxyphenyl)amino)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate (CAS 70353-84-3) is a chemical compound with molecular formula C21H25N2O5S- and molecular weight 417.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline sulfate
Also Known As: EINECS 274-577-4, 3H-Indolium, 2-(2-((4-ethoxyphenyl)amino)ethenyl)-1,3,3-trimethyl, bisulfate, 3H-Indolium, 2-(2-((4-ethoxyphenyl)amino)ethenyl)-1,3,3-trimethyl-, sulfate (1:1), 2-(2-((4-Ethoxyphenyl)amino)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate, 2-[2-[(4-ethoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate
| Molecular Formula | C21H25N2O5S- |
|---|---|
| Molecular Weight | 417.15 g/mol |
| LogP | 3.3791 |
| Topological Polar Surface Area | 104.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.1484 |
| Heavy Atoms | 29 |
| Complexity | 1001.6219 |
Chemical Identifiers
| CAS Number | 70353-84-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)C.[O-]S(=O)(=O)[O-] |
Product Overview
2-(2-((4-Ethoxyphenyl)amino)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate (CAS 70353-84-3), with molecular formula C21H25N2O5S- and molecular weight 417.15 g/mol. IUPAC: 4-ethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline sulfate.
Chemical Property Profile of 2-(2-((4-Ethoxyphenyl)amino)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate
Property Insights of 2-(2-((4-Ethoxyphenyl)amino)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate
The XLogP value of 3.3791 indicates that 2-(2-((4-Ethoxyphenyl)amino)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-((4-Ethoxyphenyl)amino)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate. Following Lipinski's Rule of Five, 2-(2-((4-Ethoxyphenyl)amino)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-((4-Ethoxyphenyl)amino)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate?
The CAS number of 2-(2-((4-Ethoxyphenyl)amino)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate is 70353-84-3.
What is the molecular formula of 2-(2-((4-Ethoxyphenyl)amino)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate?
The molecular formula of 2-(2-((4-Ethoxyphenyl)amino)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate is C21H25N2O5S-.
What is the molecular weight of 2-(2-((4-Ethoxyphenyl)amino)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate?
The molecular weight of 2-(2-((4-Ethoxyphenyl)amino)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate is 417.15 g/mol.
Where can I buy 2-(2-((4-Ethoxyphenyl)amino)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate?
You can request a quote for 2-(2-((4-Ethoxyphenyl)amino)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-((4-Ethoxyphenyl)amino)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-((4-Ethoxyphenyl)amino)vinyl)-1,3,3-trimethyl-3H-indolium hydrogen sulphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.